BDBM493087 2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)-N-((1r,4r)-4-(hydroxymethyl)cyclohexyl)acetamide::US10981911, Example 27
SMILES: OC[C@H]1CC[C@@H](CC1)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1
InChI Key:
Data: 4 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human)) | BDBM493087![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV US Patent | Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut... | US Patent US10981911 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human)) | BDBM493087![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV US Patent | Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut... | US Patent US10981911 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK3 [512-1124] (Homo sapiens (Human)) | BDBM493087![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 36.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV US Patent | Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut... | US Patent US10981911 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 [532-1132] (Homo sapiens (Human)) | BDBM493087![]() (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV US Patent | Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut... | US Patent US10981911 (2021) | |||||||||||
More data for this Ligand-Target Pair |